2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

C13H19N3O4 — CID 62818484

IUPAC2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)N(C)C(C)(C)C(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O4/c1-5-8-16-10(17)7-6-9(14-16)11(18)15(4)13(2,3)12(19)20/h6-7H,5,8H2,1-4H3,(H,19,20)
InChIKeyVOVDFTPJUXNSJD-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.59
Rot. Bonds5

About 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid

2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (PubChem CID 62818484) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
PubChem CID62818484
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
SMILESCCCn1nc(C(=O)N(C)C(C)(C)C(=O)O)ccc1=O
InChIInChI=1S/C13H19N3O4/c1-5-8-16-10(17)7-6-9(14-16)11(18)15(4)13(2,3)12(19)20/h6-7H,5,8H2,1-4H3,(H,19,20)
InChIKeyVOVDFTPJUXNSJD-UHFFFAOYSA-N
XLogP0.59
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid (CID 62818484) is 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is CCCn1nc(C(=O)N(C)C(C)(C)C(=O)O)ccc1=O.
What is the InChIKey of 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
The InChIKey is VOVDFTPJUXNSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-5-8-16-10(17)7-6-9(14-16)11(18)15(4)13(2,3)12(19)20/h6-7H,5,8H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid?
2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62818484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).